| CAS Number | 36855-12-6 |
| Catalog Number | AG019LEU(AGN-PC-0WOB32) |
| Chemical Name | 2-[5-(furan-2-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid |
| IUPAC Name | 2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid |
| InChI | InChI=1S/C7H6N4O3/c12-6(13)4-11-9-7(8-10-11)5-2-1-3-14-5/h1-3H,4H2,(H,12,13) |
| InChI Key | UFBBQMVELHQQJM-UHFFFAOYSA-N |
| MDL Number | MFCD09971376 |
| Molecular Formula | C7H6N4O3 |
| Molecular Weight | 194.1475 |
| SMILES | OC(CN1N=C(C2OC=CC=2)N=N1)=O |
| Synonyms | [5-(2-furyl)-2H-tetrazol-2-yl]acetic acid,
2-[5-(furan-2-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid,
36855-12-6,
AC1Q75WV,
CTK8F2542,
STL301988,
ZINC20281862,
AKOS009167694,
MCULE-8214341985,
NE50630,
EN300-31001,
[5-(furan-2-yl)-2H-tetrazol-2-yl]acetic acid,
Z324553156,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.15g/mol |
| Monoisotopic Mass | 194.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number